[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone

C19H28N2O — CID 99777092

IUPAC[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCC[C@@H]1CCCc1ccccc1
InChIInChI=1S/C19H28N2O/c22-19(17-11-13-20-14-12-17)21-15-5-10-18(21)9-4-8-16-6-2-1-3-7-16/h1-3,6-7,17-18,20H,4-5,8-15H2/t18-/m0/s1
InChIKeyOSJPFEOKXJUPGL-SFHVURJKSA-N
MW300.45 g/mol
LogP3.00
Rot. Bonds5

About [(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone

[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone (PubChem CID 99777092) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
PubChem CID99777092
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCC[C@@H]1CCCc1ccccc1
InChIInChI=1S/C19H28N2O/c22-19(17-11-13-20-14-12-17)21-15-5-10-18(21)9-4-8-16-6-2-1-3-7-16/h1-3,6-7,17-18,20H,4-5,8-15H2/t18-/m0/s1
InChIKeyOSJPFEOKXJUPGL-SFHVURJKSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-oxo-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]-N-(piperidin-4-ylmethyl)acetamide
CID 167940137
(2S,5S)-5-[(2R)-2-(3-phenylpropyl)piperidine-1-carbonyl]oxolane-2-carboxamide
CID 129429786
N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide
CID 18727492
2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 120705338
3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018496
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 63395853
1-[2-oxo-2-[(2R)-2-(3-phenylpropyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 129393001
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
CID 62469494
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 63395803
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
[(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 171687618

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone (CID 99777092) is [(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone is O=C(C1CCNCC1)N1CCC[C@@H]1CCCc1ccccc1.
What is the InChIKey of [(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is OSJPFEOKXJUPGL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O/c22-19(17-11-13-20-14-12-17)21-15-5-10-18(21)9-4-8-16-6-2-1-3-7-16/h1-3,6-7,17-18,20H,4-5,8-15H2/t18-/m0/s1.
What are the key properties of [(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone?
[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 300.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 99777092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).